N-[(E)-(4-hexoxyphenyl)methylideneamino]-3,5-dinitro-benzamide

Systemtic Name: N-[(E)-(4-hexoxyphenyl)methylideneamino]-3,5-dinitro-benzamide Openeye Name: N-[(E)-(4-hexoxyphenyl)methyleneamino]-3,5-dinitro-benzamide CAS Name: N-[(E)-(4-hexoxyphenyl)methylideneamino]-3,5-dinitrobenzamide IUPAC Name: N-[(E)-(4-hexoxyphenyl)methylideneamino]-3,5-dinitrobenzamide Traditional Name: N-[(E)-(4-hexoxybenzylidene)amino]-3,5-dinitro-benzamide Formula: C20H22N4O6 MolecularWeight: 414.41188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C=NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O6/c1-2-3-4-5-10-30-19-8-6-15(7-9-19)14-21-22-20(25)16-11-17(23(26)27)13-18(12-16)24(28)29/h6-9,11-14H,2-5,10H2,1H3,(H,22,25)/b21-14+